4-[4-(methylamino)phenyl]butan-1-ol

C11H17NO — CID 69404104

IUPAC4-[4-(methylamino)phenyl]butan-1-ol
SMILESCNc1ccc(CCCCO)cc1
InChIInChI=1S/C11H17NO/c1-12-11-7-5-10(6-8-11)4-2-3-9-13/h5-8,12-13H,2-4,9H2,1H3
InChIKeyQVDGPWZUIINEFS-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.04
Rot. Bonds5

About 4-[4-(methylamino)phenyl]butan-1-ol

4-[4-(methylamino)phenyl]butan-1-ol (PubChem CID 69404104) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-[4-(methylamino)phenyl]butan-1-ol.

Molecular Properties

Compound Name4-[4-(methylamino)phenyl]butan-1-ol
PubChem CID69404104
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-[4-(methylamino)phenyl]butan-1-ol
SMILESCNc1ccc(CCCCO)cc1
InChIInChI=1S/C11H17NO/c1-12-11-7-5-10(6-8-11)4-2-3-9-13/h5-8,12-13H,2-4,9H2,1H3
InChIKeyQVDGPWZUIINEFS-UHFFFAOYSA-N
XLogP2.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-nonadecylaniline
CID 175903606
4-hexadecyl-N-methylaniline
CID 22361119
4-(4-propylphenyl)butan-1-ol
CID 10511962
12-(4-anilinophenyl)dodecan-1-ol
CID 101298286
3-[4-[[4-(3-hydroxypropyl)phenyl]methyl]phenyl]propan-1-ol
CID 91082526
N-methyl-4-[[4-(methylamino)phenyl]methyl]aniline
CID 15735
4-(12-hydroxydodecyl)phenol
CID 139809285
1,5-bis[4-(methylamino)phenyl]pentan-3-one
CID 175944254
5-(4-butylanilino)pentan-1-ol
CID 62228069
8-[4-(diethylamino)phenyl]octan-1-ol
CID 163869246
4-[4-[4-(4-hydroxybutyl)phenyl]arsanylphenyl]butan-1-ol
CID 173421421
N-methylmethanamine;3-phenylpropan-1-ol
CID 174893841

Frequently Asked Questions

What is the IUPAC name of 4-[4-(methylamino)phenyl]butan-1-ol?
The IUPAC name of 4-[4-(methylamino)phenyl]butan-1-ol (CID 69404104) is 4-[4-(methylamino)phenyl]butan-1-ol.
What is the SMILES notation for 4-[4-(methylamino)phenyl]butan-1-ol?
The canonical SMILES for 4-[4-(methylamino)phenyl]butan-1-ol is CNc1ccc(CCCCO)cc1.
What is the InChIKey of 4-[4-(methylamino)phenyl]butan-1-ol?
The InChIKey is QVDGPWZUIINEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-12-11-7-5-10(6-8-11)4-2-3-9-13/h5-8,12-13H,2-4,9H2,1H3.
What are the key properties of 4-[4-(methylamino)phenyl]butan-1-ol?
4-[4-(methylamino)phenyl]butan-1-ol has a molecular weight of 179.26 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methylamino)phenyl]butan-1-ol is sourced from PubChem (CID 69404104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).